SCHEMBL6921092

SCHEMBL6921092

NCC(=O)OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
KMT2A Q03164 2/20 0.51
MAOB P27338 7/20 0.51
MMP12 P39900 2/20 0.50
MMP1 P03956 1/20 0.50
TAAR1 Q96RJ0 1/20 0.47
PPARG P37231 5/20 0.46
PPARA Q07869 5/20 0.46
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27790636 0.86 IDO1 (0.47) IDO1KMT2AMAOBMMP12MMP1
SCHEMBL6026962 0.86 IDO1 (0.53) IDO1KMT2AMAOBMMP12MMP1
Hydrochloric Acid SCHEMBL4484631 0.85 IDO1 (0.49) IDO1KMT2AMAOBMMP12MMP1
SCHEMBL11740623 0.83 MAOB (0.52) IDO1KMT2AMAOBMMP12MMP1
SCHEMBL20015915 0.83 SMN1; SMN2 (0.51) KMT2AMEN1
SCHEMBL10175183 0.83 MAOB (0.51) IDO1KMT2AMAOBMMP12MMP1
SCHEMBL3335304 0.82 IDO1 (0.58) IDO1KMT2AMAOBMMP12MMP1
SCHEMBL25290310 0.82 IDO1 (0.57) IDO1KMT2AMAOBMMP12MMP1
SCHEMBL6026958 0.81 MMP12 (0.49) IDO1KMT2AMAOBMMP12MMP1
SCHEMBL23049787 0.81 PRKCA (0.60) IDO1MAOBMMP12MMP1TAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111057024-A Sydneone and sydneone imine compound and preparation method and application thereof 华东理工大学 2020-04-24 CN disclosed
CN-100410236-C Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (CH) 2008-08-13 CN disclosed
CN-1633410-A Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (AN) 2005-06-29 CN disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed